N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide

C9H17N3O4 — CID 104877501

IUPACN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCOCC1CO)C(N)=NO
InChIInChI=1S/C9H17N3O4/c1-6(8(10)11-15)9(14)12-2-3-16-5-7(12)4-13/h6-7,13,15H,2-5H2,1H3,(H2,10,11)
InChIKeyDNXMJYKXKGUXPE-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.41
Rot. Bonds3

About N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide (PubChem CID 104877501) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
PubChem CID104877501
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
SMILESCC(C(=O)N1CCOCC1CO)C(N)=NO
InChIInChI=1S/C9H17N3O4/c1-6(8(10)11-15)9(14)12-2-3-16-5-7(12)4-13/h6-7,13,15H,2-5H2,1H3,(H2,10,11)
InChIKeyDNXMJYKXKGUXPE-UHFFFAOYSA-N
XLogP-1.41
TPSA108.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-3-hydroxyimino-2-methylpropanoyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83103841
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 104877390
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106593089
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76923829
3-ethyl-N'-hydroxymorpholine-4-carboximidamide
CID 62481677
4-amino-1-(3-ethylmorpholin-4-yl)-2-methylbutan-1-one
CID 80542052
[3-(hydroxymethyl)morpholin-4-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 70650528
3-(3,4-dimethoxyphenyl)-1-[3-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 112531966
(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
(5-amino-2,4-dimethylcyclohexyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 102706931

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide (CID 104877501) is N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide is CC(C(=O)N1CCOCC1CO)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide?
The InChIKey is DNXMJYKXKGUXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-6(8(10)11-15)9(14)12-2-3-16-5-7(12)4-13/h6-7,13,15H,2-5H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide has a molecular weight of 231.25 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide is sourced from PubChem (CID 104877501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).